⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27383369 | 0.79 | — | — | |
| SCHEMBL28026289 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL27699978 | 0.77 | — | — | |
| SCHEMBL21055955 | 0.76 | — | — | |
| Formic Acid SCHEMBL28896740 | 0.76 | — | — | |
| SCHEMBL27380920 | 0.73 | — | — | |
| SCHEMBL28198301 | 0.72 | — | — | |
| SCHEMBL28969686 | 0.71 | — | — | |
| SCHEMBL27907458 | 0.71 | — | — | |
| SCHEMBL27925542 | 0.70 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114957123-B | 3- (difluoromethyl) -pyrazole-4-carboxylic ester derivative and preparation method and application thereof | 浙江工业大学 | 2023-11-28 | — | — | CN | claimed |
| CN-115819346-A | Synthetic method of 3- (difluoromethyl) -1-methyl-1H-pyrazole-4-ethyl formate | 湖南化工研究院有限公司 | 2023-03-21 | — | — | CN | claimed |
| CN-114957123-A | 3- (difluoromethyl) -pyrazole-4-carboxylic ester derivative and preparation method and application thereof | 浙江工业大学 | 2022-08-30 | — | — | CN | claimed |
| CN-110669007-A | 3- (difluoromethyl) -1-methyl-1H-pyrazole-4-carboxylic ester compound and preparation method and application thereof | 浙江工业大学 | 2020-01-10 | — | — | CN | claimed |
| CN-110615764-A | N- (2-benzamide) -1H-pyrazole-4-formamide compound and preparation method and application thereof | 浙江工业大学 | 2019-12-27 | — | — | CN | claimed |
| CN-103140477-B | Process for preparing 5-fluoro-1-alkyl-3-fluoroalkyl-1h-pyrazole-4-carbonyl chlorides and fluorides | BAYER IP GMBH | 2015-07-15 | — | — | CN | claimed |
| CN-103140477-A | Process for preparing 5-fluoro-1-alkyl-3-fluoroalkyl-1h-pyrazole-4-carbonyl chlorides and fluorides | BAYER CROPSCIENCE AG | 2013-06-05 | — | — | CN | claimed |
| CN-118307475-A | Preparation method of stable isotope labeled fluxapyroxad internal standard reagent | 谱同生物医药科技(常州)有限公司 | 2024-07-09 | — | — | CN | disclosed |
| CN-114957123-B | 3- (difluoromethyl) -pyrazole-4-carboxylic ester derivative and preparation method and application thereof | 浙江工业大学 | 2023-11-28 | — | — | CN | disclosed |
| CN-115819346-A | Synthetic method of 3- (difluoromethyl) -1-methyl-1H-pyrazole-4-ethyl formate | 湖南化工研究院有限公司 | 2023-03-21 | — | — | CN | disclosed |
| CN-115819346-A | Synthetic method of 3- (difluoromethyl) -1-methyl-1H-pyrazole-4-ethyl formate | 湖南化工研究院有限公司 | 2023-03-21 | — | — | CN | disclosed |
| CN-115819346-A | Synthetic method of 3- (difluoromethyl) -1-methyl-1H-pyrazole-4-ethyl formate | 湖南化工研究院有限公司 | 2023-03-21 | — | — | CN | disclosed |
| CN-114957123-A | 3- (difluoromethyl) -pyrazole-4-carboxylic ester derivative and preparation method and application thereof | 浙江工业大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-108863934-B | Application of 1-methyl-3-difluoromethyl-1H-pyrazole-4-amide derivative in preparation of herbicide | 浙江工业大学 | 2020-09-08 | — | — | CN | disclosed |
| CN-110734403-A | (S) -2- (1H-pyrazole-4-formamido) propyl benzoate compound and preparation method and application thereof | 浙江工业大学 | 2020-01-31 | — | — | CN | disclosed |
| CN-110669007-A | 3- (difluoromethyl) -1-methyl-1H-pyrazole-4-carboxylic ester compound and preparation method and application thereof | 浙江工业大学 | 2020-01-10 | — | — | CN | disclosed |
| CN-110615764-A | N- (2-benzamide) -1H-pyrazole-4-formamide compound and preparation method and application thereof | 浙江工业大学 | 2019-12-27 | — | — | CN | disclosed |
| CN-108863934-A | A kind of 1- methyl -3- difluoromethyl -1H- pyrazoles -4- amide derivatives are preparing the application in herbicide | 浙江工业大学 | 2018-11-23 | — | — | CN | disclosed |
| CN-103140477-B | Process for preparing 5-fluoro-1-alkyl-3-fluoroalkyl-1h-pyrazole-4-carbonyl chlorides and fluorides | BAYER IP GMBH | 2015-07-15 | — | — | CN | disclosed |
| CN-103140477-A | Process for preparing 5-fluoro-1-alkyl-3-fluoroalkyl-1h-pyrazole-4-carbonyl chlorides and fluorides | BAYER CROPSCIENCE AG | 2013-06-05 | — | — | CN | disclosed |